CID 13778153

669-45-4

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1C(C2=C(O1)C=CC(=C2)Cl)N
InChI
InChI=1S/C8H8ClNO/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7H,4,10H2
InChIKey
YAWYQNCCQCICHI-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

169.02943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 129.8
[M+Na]+ 192.01865 143.0
[M+NH4]+ 187.06325 140.1
[M+K]+ 207.99259 138.1
[M-H]- 168.02215 134.3
[M+Na-2H]- 190.00410 135.6
[M]+ 169.02888 133.3
[M]- 169.02998 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe